A closer look: High-resolution pore-scale simulations of solute transport and mixing through porous media columns

G Sole-Mari, D Bolster, D Fernàndez-Garcia - Transport in Porous Media, 2022 - Springer
Mixing is pivotal to conservative and reactive transport behaviors in porous media. Methods
for investigating mixing processes include mathematical models, laboratory experiments …

Lagrangian modeling of mixing‐limited reactive transport in porous media: Multirate interaction by exchange with the mean

G Sole‐Mari, D Fernàndez‐Garcia… - Water Resources …, 2020 - Wiley Online Library
The presence of solute concentration fluctuations at spatial scales much below the scale of
resolution is a major challenge for modeling reactive transport in porous media. Overlooking …

On the separate treatment of mixing and spreading by the reactive-particle-tracking algorithm: An example of accurate upscaling of reactive Poiseuille flow

DA Benson, S Pankavich, D Bolster - Advances in water resources, 2019 - Elsevier
The Eulerian advection-dispersion-reaction equation (ADRE) suffers the well-known scale-
effect of reduced apparent reaction rates between chemically dissimilar fluids at larger …

Inertia and diffusion effects on reactive transport with fluid-solid reactions in rough fracture flows

W Lee, S Yoon, PK Kang - Physical Review Fluids, 2023 - APS
Fluid inertia is known to exert a dominant control over transport processes in fracture flows.
In particular, recirculating flows readily arise in inertial rough fracture flows and have been …

Accelerating and parallelizing Lagrangian simulations of mixing‐limited reactive transport

NB Engdahl, MJ Schmidt… - Water Resources …, 2019 - Wiley Online Library
Recent advances in random walk particle tracking have enabled direct simulation of mixing
and reactions by allowing the particles to interact with each other using a multipoint mass …

A Lagrangian method for reactive transport with solid/aqueous chemical phase interaction

MJ Schmidt, SD Pankavich, A Navarre-Sitchler… - Journal of …, 2019 - Elsevier
A significant drawback of Lagrangian (particle-tracking) reactive transport models has been
their inability to properly simulate interactions between solid and liquid chemical phases …

A scalable parallel algorithm for reactive particle tracking

M Morvillo, CB Rizzo, FPJ De Barros - Journal of Computational Physics, 2021 - Elsevier
Modeling chemical reactions on the basis of probabilistic rules has been employed in
Lagrangian schemes to simulate transport of solutes in porous media. Reactive random …

Numerical equivalence between SPH and probabilistic mass transfer methods for Lagrangian simulation of dispersion

G Sole-Mari, MJ Schmidt, SD Pankavich… - Advances in Water …, 2019 - Elsevier
Several Lagrangian methodologies have been proposed in recent years to simulate
advection-dispersion of solutes in fluids as a mass exchange between numerical particles …

[HTML][HTML] Coupled nonlinear surface reactions in random walk particle tracking

T Aquino - Advances in Water Resources, 2024 - Elsevier
Random walk particle tracking (RWPT) methods employ a Lagrangian discretization of
transported scalars into point particles to numerically solve the advection–dispersion …

[HTML][HTML] Parallelization of particle-mass-transfer algorithms on shared-memory, multi-core CPUs

DA Benson, I Pribec, NB Engdahl, S Pankavich… - Advances in Water …, 2024 - Elsevier
Simulating the transfer of mass between particles is not straightforwardly parallelized
because it involves the calculation of the influence of many particles on each other. Engdahl …